N-benzyl-3-methyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide

• ChemBase ID: 583269
• Molecular Formular: C17H16N2O2S
• Molecular Mass: 312.38614
• Monoisotopic Mass: 312.09324876
• SMILES: C(=O)(c1c(cco1)C)N(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: Cc1ccoc1C(=O)N(Cc1nccs1)Cc1ccccc1
• InChI: InChI=1S/C17H16N2O2S/c1-13-7-9-21-16(13)17(20)19(12-15-18-8-10-22-15)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
• InChIKey: YRYOINWHMRQMHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-methyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-benzyl-3-methyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
• Synonyms: N-benzyl-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0256183
• LogD (pH = 7.4): 3.0258093
• Log P: 3.0258117
• Molar Refractivity: 86.1225 cm^3
• Polarizability: 32.451565 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.58
• LOG S: -3.68
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5